General Information of the Compound
| Compound ID |
CP0859392
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-endo-Hydroxy-3-exo-cyclopropyl 8-azabicyclo[3.2.1]oct-8-yl)naphthalene-1-carbonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C21H22N2O
|
||||||||||||||||||
| Molecular Weight |
318.42
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(N2[C@@H]3CC[C@H]2C[C@](O)(C2CC2)C3)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O/c22-13-14-5-10-20(19-4-2-1-3-18(14)19)23-16-8-9-17(23)12-21(24,11-16)15-6-7-15/h1-5,10,15-17,24H,6-9,11-12H2/t16-,17+,21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RAPZYRVDGRYTQV-LFUKPOHLSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound